SCHEMBL11828803

SCHEMBL11828803

COC(=O)CC(Cc1ccc(-c2ccccc2)cc1)SC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRR Q9GZT4 2/20 0.43
▸ PSAT1 Q9Y617 2/20 0.43
▸ ACACB O00763 1/20 0.43
▸ MMP12 P39900 2/20 0.43
▸ PPARG P37231 7/20 0.43
▸ PPARA Q07869 6/20 0.43
▸ PPARD Q03181 1/20 0.42
▸ MME P08473 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ ACE2 Q9BYF1 2/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ HDAC1 Q13547 4/20 0.42
▸ HDAC6 Q9UBN7 4/20 0.42
▸ MMP1 P03956 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11827301 0.87 SRR (0.45) SRRPSAT1MMP12PPARGPPARA
SCHEMBL11834777 0.86 MMP12 (0.48) SRRPSAT1ACACBMMP12PPARG
SCHEMBL11821169 0.86 PPARA (0.49) SRRPSAT1PPARGPPARA
SCHEMBL11832270 0.83 SRR (0.46) SRRPSAT1ACACBMMP12PPARG
SCHEMBL11826818 0.81 ALDH1A1 (0.43) SRRPSAT1ACACBMMP12PPARG
SCHEMBL11827807 0.79 KMT2A (0.52) MMEACEACE2CPA1
SCHEMBL2161790 0.79 SRR (0.53) SRRPSAT1MMP12PPARGPPARA
SCHEMBL7040817 0.78 CYP1A2 (0.54) PPARA
SCHEMBL12268109 0.78 PPID (0.46) SRRPPARA
SCHEMBL11827656 0.77 MMP12 (0.48) SRRPSAT1MMP12PPARGPPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 — — US disclosed
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